3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈
TL;DR: 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 (CAS 120586-49-4) is a chemical compound with molecular formula C15H9Cl2NO and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈
3,3-dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile
Also Known As: 3,3-dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile, Benzeneacetonitrile, alpha-(dichloromethylene)-3-phenoxy-, Benzeneacetonitrile, a-(dichloromethylene)-3-phenoxy-, Benzeneacetonitrile,a-(dichloromethylene)-3-phenoxy
| Molecular Formula | C15H9Cl2NO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.00613 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 120586-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=C(Cl)Cl)C#N |
| InChIKey | QUSOURBRLINNNM-UHFFFAOYSA-N |
Product Overview
3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 (CAS 120586-49-4), with molecular formula C15H9Cl2NO and molecular weight 289.01 g/mol. IUPAC: 3,3-dichloro-2-(3-phenoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈
Property Insights of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈
The XLogP value of 4.9 indicates that 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈?
The CAS number of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 is 120586-49-4.
What is the molecular formula of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈?
The molecular formula of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 is C15H9Cl2NO.
What is the molecular weight of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈?
The molecular weight of 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 is 289.01 g/mol.
Where can I buy 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈?
You can request a quote for 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二氯-2-(3-苯氧基苯基)丙烯-2-腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.